| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID40384472 |
Structure
| InChI Key | PSDQOOQJPHTEIA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C19H21N3 |
| Molecular Weight | 291.17 |
| AlogP | 3.1 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 30.27 |
| Heavy Atoms | 22.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 86236-77-3 |
| NORMAN SUSDAT | |
| PubChem | 2806026 |
| ChemSpider | 2084548.0 |
CONTENTS
